SCHEMBL18598496

SCHEMBL18598496

O=NC(=O)C(Cc1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.83
▸ MEN1 O00255 11/20 0.83
▸ KMT2A Q03164 11/20 0.83
▸ POLB P06746 10/20 0.83
▸ KDM4E B2RXH2 9/20 0.83
▸ RECQL P46063 9/20 0.83
▸ USP2 O75604 8/20 0.83
▸ L3MBTL1 Q9Y468 8/20 0.83
▸ BLM P54132 6/20 0.83
▸ THRB P10828 5/20 0.83
▸ TDP1 Q9NUW8 5/20 0.83
▸ ALDH1A1 P00352 5/20 0.83
▸ PSMD14 O00487 1/20 0.83
▸ MMP2 P08253 1/20 0.83
▸ ALPL P05186 4/20 0.68
▸ NSD2 O96028 3/20 0.68
▸ SAE1 Q9UBE0 2/20 0.68
▸ UBA2 Q9UBT2 2/20 0.68
▸ APAF1 O14727 1/20 0.68
▸ APEX1 P27695 6/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14680220 0.91 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL26458902 0.91 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL14680251 0.79 MAPT (0.78) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL14680229 0.76 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL5991599 0.75 MEN1 (0.75) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL19419942 0.73 MAPT (0.83) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL20705581 0.72 MAPT (0.67) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL6886015 0.72 MAPT (0.88) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL19425501 0.70 DUSP3 (0.72) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL26485785 0.70 MAPT (0.65) MAPTMEN1KMT2APOLBKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138838-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2017-03-08 — — EP disclosed
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